CID 89661495

2287340-98-9

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=C2CNC(=O)C2=NC=C1
InChI
InChI=1S/C8H8N2O/c1-5-2-3-9-7-6(5)4-10-8(7)11/h2-3H,4H2,1H3,(H,10,11)
InChIKey
HXJSAINNIPKPEE-UHFFFAOYSA-N
Compound name
4-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 128.7
[M+Na]+ 171.05288 138.7
[M-H]- 147.05638 129.7
[M+NH4]+ 166.09748 149.9
[M+K]+ 187.02682 135.4
[M+H-H2O]+ 131.06092 122.4
[M+HCOO]- 193.06186 149.1
[M+CH3COO]- 207.07751 142.4
[M+Na-2H]- 169.03833 135.1
[M]+ 148.06311 127.0
[M]- 148.06421 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe